# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03732664
_cell_length_b   10.07299094
_cell_length_c   6.17245100
_cell_angle_alpha   90.00003663
_cell_angle_beta   90.00001758
_cell_angle_gamma   92.06799145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBO4
_chemical_formula_sum   'Li8 Fe4 B4 O16'
_cell_volume   312.99201855
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.30464700  0.34768100  0.49999300  1
  Li  Li1  1  0.30464500  0.84768300  0.49999300  1
  Li  Li2  1  0.69535300  0.15232000  0.99999300  1
  Li  Li3  1  0.69535400  0.65231800  0.99999300  1
  Li  Li4  1  0.17429800  0.08714200  0.74998400  1
  Li  Li5  1  0.17429700  0.58714100  0.74998500  1
  Li  Li6  1  0.82570100  0.41285800  0.24998400  1
  Li  Li7  1  0.82570300  0.91286000  0.24998500  1
  Fe  Fe8  1  0.31573700  0.84226400  0.00018300  1
  Fe  Fe9  1  0.68427300  0.65773000  0.50018300  1
  Fe  Fe10  1  0.31579000  0.34222700  0.00016500  1
  Fe  Fe11  1  0.68421000  0.15776900  0.50016800  1
  B  B12  1  0.18093400  0.09047300  0.24998500  1
  B  B13  1  0.18093200  0.59047200  0.24998400  1
  B  B14  1  0.81906500  0.40952700  0.74998500  1
  B  B15  1  0.81906700  0.90952900  0.74998400  1
  O  O16  1  0.21900800  0.44319900  0.24224500  1
  O  O17  1  0.21900800  0.94320200  0.24224800  1
  O  O18  1  0.11365500  0.39049000  0.75767600  1
  O  O19  1  0.11365400  0.89049500  0.75767000  1
  O  O20  1  0.88634400  0.10951000  0.25767600  1
  O  O21  1  0.88634600  0.60950600  0.25767000  1
  O  O22  1  0.78099100  0.05680200  0.74224500  1
  O  O23  1  0.78099100  0.55679900  0.74224800  1
  O  O24  1  0.29384200  0.15359000  0.04944500  1
  O  O25  1  0.29384200  0.65358400  0.04944300  1
  O  O26  1  0.69269200  0.35314200  0.95050000  1
  O  O27  1  0.69270000  0.85314500  0.95049900  1
  O  O28  1  0.70615700  0.34641100  0.54944500  1
  O  O29  1  0.70615700  0.84641700  0.54944300  1
  O  O30  1  0.30730700  0.14685800  0.45050000  1
  O  O31  1  0.30729900  0.64685500  0.45050000  1
